4-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one

Systemtic Name: 4-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Openeye Name: 4-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]tetrahydrofuran-2-one CAS Name: 4-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-2-oxolanone IUPAC Name: 4-[(5-benzyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]oxolan-2-one Traditional Name: 4-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)thio]tetrahydrofuran-2-one Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC2CC(=O)OC2)CC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SC2CC(=O)OC2)CC3=CC=CC=C3

InChI

InChI=1S/C16H17N3O2S/c1-2-8-19-14(9-12-6-4-3-5-7-12)17-18-16(19)22-13-10-15(20)21-11-13/h2-7,13H,1,8-11H2